SCHEMBL6557649

SCHEMBL6557649

Brc1ccc(OCCOc2ccc(Br)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.57
KDM4E B2RXH2 2/20 0.55
ALDH1A1 P00352 1/20 0.55
DRD4 P21917 2/20 0.53
DRD2 P14416 1/20 0.53
DRD3 P35462 1/20 0.53
PTGS2 P35354 2/20 0.52
ATM Q13315 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
LTA4H P09960 1/20 0.52
LMNA P02545 1/20 0.52
TSHR P16473 1/20 0.52
APP P05067 1/20 0.50
PTGS1 P23219 1/20 0.50
MAPK1 P28482 1/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
MAOA P21397 1/20 0.49

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL14031270 0.95 TSHR (0.58) MAOBKDM4EALDH1A1DRD4DRD2
SCHEMBL17445905 0.92 ATM (0.60) MAOBKDM4EALDH1A1DRD4DRD2
SCHEMBL18235025 0.92 DRD4 (0.57) MAOBKDM4EALDH1A1DRD4DRD2
SCHEMBL8417765 0.90 KCNA3 (0.61) MAOBKDM4EALDH1A1PTGS2LTA4H
SCHEMBL7898603 0.89 ATM (0.58) MAOBKDM4EALDH1A1DRD4DRD2
SCHEMBL17465617 0.89 ATM (0.58) MAOBKDM4EALDH1A1DRD4DRD2
SCHEMBL6268340 0.88 KDM4E (0.52) MAOBKDM4EALDH1A1DRD4DRD2
SCHEMBL410729 0.88 KDM4E (0.52) MAOBKDM4EALDH1A1DRD4DRD2
SCHEMBL1697534 0.87 KDM4E (0.50) MAOBKDM4EALDH1A1DRD4DRD2
SCHEMBL21876667 0.86 NPC1 (0.59) MAOBKDM4EALDH1A1DRD4DRD2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0958288-B1 PHOTOCHROMIC NAPHTOPYRANE COLORANTS, METHOD FOR THE PRODUCTION AND USE THEREOF, PHOTOCHROMIC OBJECT RODENSTOCK GMBH (DE) 2004-03-03 EP disclosed
US-6146554-A FOR PHOTOCHROMIC PLASTIC LENSES IN MASS-DYEING PROCESSES OPTISCHE WERKE G. RODENSTOCK (DE) 2000-11-14 US disclosed
US-4223169-A Process for polybrominating bisphenoxyalkanes FERRO CORPORATION (US) 1980-09-16 US disclosed